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Home > Indoles and Oxindole > 870188-41-3
870188-41-3 | 1H-Indole-1-carbodithioic acid, 2-phenyl-, phenylmethyl ester
CAS No: 870188-41-3 Catalog No: AG004K34 MDL No:
Product Description
Catalog Number:
AG004K34
Chemical Name:
1H-Indole-1-carbodithioic acid, 2-phenyl-, phenylmethyl ester
CAS Number:
870188-41-3
Molecular Formula:
C22H17NS2
Molecular Weight:
359.5071
IUPAC Name:
benzyl 2-phenylindole-1-carbodithioate
InChI:
InChI=1S/C22H17NS2/c24-22(25-16-17-9-3-1-4-10-17)23-20-14-8-7-13-19(20)15-21(23)18-11-5-2-6-12-18/h1-15H,16H2
InChI Key:
KHLDGVCBUPUWPA-UHFFFAOYSA-N
SMILES:
S=C(n1c(cc2c1cccc2)c1ccccc1)SCc1ccccc1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.08g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.505g/mol
Monoisotopic Mass:
359.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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